论文标题
从头开始计算单层过渡金属二核苷中的自旋非辅助激子散射
Ab initio calculations of spin-nonconserving exciton-phonon scattering in monolayer transition metal dichalcogenides
论文作者
论文摘要
我们使用$ \ textIt {ab intio} $接近二维过渡金属二进制基因源，研究了激子与声子在二维过渡金属二进制中的耦合。结合$ \ text {gw} $ - 伯特 - 盐的方程方法和密度函数扰动理论，我们计算了单层中的phonon和exciton-phonon耦合矩阵元素，用于单层wse $ _ {\ text {\ text {2} $的单层流式散射，并进一步散布机制，并分析了以下机制。我们发现声子可以产生有效的平面磁场，从而使激子的自旋旋转，从而产生与旋转宽松的宽松通道。最后，我们计算温度依赖性的自旋flip激子 - phonon松弛时间。我们的方法和分析可以概括以研究其他二维材料，并刺激自旋flip激子松弛动力学的实验测量。
We investigate the spin-nonconserving relaxation channel of excitons by their couplings with phonons in two-dimensional transition metal dichalcogenides using $\textit{ab initio}$ approaches. Combining $\text{GW}$-Bethe-Salpeter equation method and density functional perturbation theory, we calculate the electron-phonon and exciton-phonon coupling matrix elements for the spin-flip scattering in monolayer WSe$_{\text{2}}$, and further analyze the microscopic mechanisms influencing these scattering strengths. We find that phonons could produce effective in-plane magnetic fields which flip spin of excitons, giving rise to relaxation channels complimentary to the spin-conserving relaxation. Finally, we calculate temperature-dependent spin-flip exciton-phonon relaxation times. Our method and analysis can be generalized to study other two-dimensional materials and would stimulate experimental measurements of spin-flip exciton relaxation dynamics.
